5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide

C32H38FN7O — CID 144929034

About 5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 144929034) has the molecular formula C32H38FN7O and a molecular weight of 555.70 g/mol. Its IUPAC name is 5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 144929034
• Molecular Formula: C32H38FN7O
• Molecular Weight: 555.70 g/mol
• Exact Mass: 555.31
• IUPAC Name: 5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CCc1c(F)cc(CN2CCCCC2)cc1-c1ccc2[nH]nc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)c2c1
• InChI: InChI=1S/C32H38FN7O/c1-3-25-26(17-22(18-28(25)33)21-39-11-5-4-6-12-39)23-7-9-29-27(19-23)31(37-36-29)32(41)35-24-8-10-30(34-20-24)40-15-13-38(2)14-16-40/h7-10,17-20H,3-6,11-16,21H2,1-2H3,(H,35,41)(H,36,37)
• InChIKey: NBXQZCBOJLJNRT-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 80.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.70
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 144929034) is 5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide is CCc1c(F)cc(CN2CCCCC2)cc1-c1ccc2[nH]nc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)c2c1.

What is the InChIKey of 5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is NBXQZCBOJLJNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN7O/c1-3-25-26(17-22(18-28(25)33)21-39-11-5-4-6-12-39)23-7-9-29-27(19-23)31(37-36-29)32(41)35-24-8-10-30(34-20-24)40-15-13-38(2)14-16-40/h7-10,17-20H,3-6,11-16,21H2,1-2H3,(H,35,41)(H,36,37).

What are the key properties of 5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 555.70 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 144929034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).